2-methoxyethyl 2-[6-(hydroxymethyl)-3-oxo-1,4-benzoxazin-4-yl]acetate

C14H17NO6 — CID 82338210

IUPAC2-methoxyethyl 2-[6-(hydroxymethyl)-3-oxo-1,4-benzoxazin-4-yl]acetate
SMILESCOCCOC(=O)CN1C(=O)COc2ccc(CO)cc21
InChIInChI=1S/C14H17NO6/c1-19-4-5-20-14(18)7-15-11-6-10(8-16)2-3-12(11)21-9-13(15)17/h2-3,6,16H,4-5,7-9H2,1H3
InChIKeyDKYVOVRAHIQXKM-UHFFFAOYSA-N
MW295.29 g/mol
LogP0.09
Rot. Bonds6

About 2-methoxyethyl 2-[6-(hydroxymethyl)-3-oxo-1,4-benzoxazin-4-yl]acetate

2-methoxyethyl 2-[6-(hydroxymethyl)-3-oxo-1,4-benzoxazin-4-yl]acetate (PubChem CID 82338210) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-methoxyethyl 2-[6-(hydroxymethyl)-3-oxo-1,4-benzoxazin-4-yl]acetate.

Molecular Properties

Compound Name2-methoxyethyl 2-[6-(hydroxymethyl)-3-oxo-1,4-benzoxazin-4-yl]acetate
PubChem CID82338210
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name2-methoxyethyl 2-[6-(hydroxymethyl)-3-oxo-1,4-benzoxazin-4-yl]acetate
SMILESCOCCOC(=O)CN1C(=O)COc2ccc(CO)cc21
InChIInChI=1S/C14H17NO6/c1-19-4-5-20-14(18)7-15-11-6-10(8-16)2-3-12(11)21-9-13(15)17/h2-3,6,16H,4-5,7-9H2,1H3
InChIKeyDKYVOVRAHIQXKM-UHFFFAOYSA-N
XLogP0.09
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl 2-[3-oxo-6-(1,3-thiazol-4-yl)-1,4-benzoxazin-4-yl]acetate
CID 39086298
4-heptyl-6-(hydroxymethyl)-1,4-benzoxazin-3-one
CID 82338226
methyl 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 3154550
2-methoxyethyl 2-(6-formyl-8-methoxy-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 82155498
methyl 2-(6-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 26434581
7-(hydroxymethyl)-4-(2-oxopropyl)-1,4-benzoxazin-3-one
CID 82338494
6-bromo-4-(3-methoxy-2-oxopropyl)-1,4-benzoxazin-3-one
CID 107507687
6-(2-aminoethyl)-4-(4-hydroxybutyl)-1,4-benzoxazin-3-one
CID 115217799
6-(cyclopropylmethyl)-4-(3-methoxypropyl)-1,4-benzoxazin-3-one
CID 58483740
(4-cyanophenyl)methyl 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 31601831
2-propoxyethyl 2-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]acetate
CID 28695956
6-(2-aminoethyl)-4-(3-oxobutyl)-1,4-benzoxazin-3-one
CID 115235943

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-[6-(hydroxymethyl)-3-oxo-1,4-benzoxazin-4-yl]acetate?
The IUPAC name of 2-methoxyethyl 2-[6-(hydroxymethyl)-3-oxo-1,4-benzoxazin-4-yl]acetate (CID 82338210) is 2-methoxyethyl 2-[6-(hydroxymethyl)-3-oxo-1,4-benzoxazin-4-yl]acetate.
What is the SMILES notation for 2-methoxyethyl 2-[6-(hydroxymethyl)-3-oxo-1,4-benzoxazin-4-yl]acetate?
The canonical SMILES for 2-methoxyethyl 2-[6-(hydroxymethyl)-3-oxo-1,4-benzoxazin-4-yl]acetate is COCCOC(=O)CN1C(=O)COc2ccc(CO)cc21.
What is the InChIKey of 2-methoxyethyl 2-[6-(hydroxymethyl)-3-oxo-1,4-benzoxazin-4-yl]acetate?
The InChIKey is DKYVOVRAHIQXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6/c1-19-4-5-20-14(18)7-15-11-6-10(8-16)2-3-12(11)21-9-13(15)17/h2-3,6,16H,4-5,7-9H2,1H3.
What are the key properties of 2-methoxyethyl 2-[6-(hydroxymethyl)-3-oxo-1,4-benzoxazin-4-yl]acetate?
2-methoxyethyl 2-[6-(hydroxymethyl)-3-oxo-1,4-benzoxazin-4-yl]acetate has a molecular weight of 295.29 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-[6-(hydroxymethyl)-3-oxo-1,4-benzoxazin-4-yl]acetate is sourced from PubChem (CID 82338210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).